C103H98ClF3N24O9 — CID 161050610
1-(4-chlorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methoxyphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 161050610) has the molecular formula C103H98ClF3N24O9 and a molecular weight of 1908.52 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methoxyphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea.
| Compound Name | 1-(4-chlorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methoxyphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea |
|---|---|
| PubChem CID | 161050610 |
| Molecular Formula | C103H98ClF3N24O9 |
| Molecular Weight | 1908.52 g/mol |
| Exact Mass | 1906.76 |
| IUPAC Name | 1-(4-chlorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methoxyphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea |
| SMILES | COc1ccc(NC(=O)Nc2cccc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)c2)cc1.O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nc(N3CCOCC3)[nH]c2-c2ccncc2)c1.O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2nc(N3CCOCC3)[nH]c2-c2ccncc2)c1 |
| InChI | InChI=1S/C26H23F3N6O2.C26H26N6O3.C26H26N6O2.C25H23ClN6O2/c27-26(28,29)19-4-6-20(7-5-19)31-25(36)32-21-3-1-2-18(16-21)23-22(17-8-10-30-11-9-17)33-24(34-23)35-12-14-37-15-13-35;1-34-22-7-5-20(6-8-22)28-26(33)29-21-4-2-3-19(17-21)24-23(18-9-11-27-12-10-18)30-25(31-24)32-13-15-35-16-14-32;1-18-5-7-21(8-6-18)28-26(33)29-22-4-2-3-20(17-22)24-23(19-9-11-27-12-10-19)30-25(31-24)32-13-15-34-16-14-32;26-19-4-6-20(7-5-19)28-25(33)29-21-3-1-2-18(16-21)23-22(17-8-10-27-11-9-17)30-24(31-23)32-12-14-34-15-13-32/h1-11,16H,12-15H2,(H,33,34)(H2,31,32,36);2-12,17H,13-16H2,1H3,(H,30,31)(H2,28,29,33);2-12,17H,13-16H2,1H3,(H,30,31)(H2,28,29,33);1-11,16H,12-15H2,(H,30,31)(H2,28,29,33) |
| InChIKey | UCBZPSRUIONGMB-UHFFFAOYSA-N |
| XLogP | 20.47 |
| TPSA | 389.91 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 140 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1908.52 |
| LogP ≤ 5 | 20.47 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 21 |